Geometry & MOs

Info

ID:

103629

PubChem CID:

50072010

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-188.29

Dipole, Da:

10.61

IP(EA), eV:

 -8.58(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NCC(C)C

DOS

IR

Vibrations